argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)-
TL;DR: argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)- (CAS 97747-93-8) is a chemical compound with molecular formula C53H76N14O12S2 and molecular weight 1164.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S)-4-amino-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylidenepropan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2S)-3-(4-ethoxyphenyl)-2-[[2-(1-sulfanylcyclohexyl)acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide
Also Known As: d(CH2)5Tyr(Et)Avp, Cgp 29325, Argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)-, 1-(1-Mercaptocyclohexaneacetic acid)-2-(O-ethyl-tyr)-argipressin, Arginine vasopressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-tyr(2)-
| Molecular Formula | C53H76N14O12S2 |
|---|---|
| Molecular Weight | 1164.52 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 460.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 32 |
| Exact Mass | 1164.5209 |
| Heavy Atoms | 81 |
| Complexity | 2240.0 |
Chemical Identifiers
| CAS Number | 97747-93-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C=S)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(=O)CN)NC(=O)CC4(CCCCC4)S |
| InChIKey | CCLTWSBETPDRKT-OAKHNGAUSA-N |
Product Overview
argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)- (CAS 97747-93-8), with molecular formula C53H76N14O12S2 and molecular weight 1164.52 g/mol. IUPAC: (2S)-N-[(2S)-4-amino-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylidenepropan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2S)-3-(4-ethoxyphenyl)-2-[[2-(1-sulfanylcyclohexyl)acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide.
Chemical Property Profile of argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)-
Property Insights of argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)-
The XLogP value of -1.6 indicates that argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 460.0 Ų indicates high polarity, suggesting argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)- has 13 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)-?
The CAS number of argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)- is 97747-93-8.
What is the molecular formula of argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)-?
The molecular formula of argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)- is C53H76N14O12S2.
What is the molecular weight of argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)-?
The molecular weight of argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)- is 1164.52 g/mol.
Where can I buy argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)-?
You can request a quote for argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)-?
Yes, KEHONG BIO provides custom synthesis services for argipressin,(1-mercaptocyclohexaneacetic acid)(1)-O-ethyl-Tyr(2)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.